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Compound Detail

CHEMBL3288113

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COc1nc(CC(O)COCc2ccccc2)c(OC)c(OC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288113
Phase Preclinical
Structure Type MOL
InChI Key VYFDFHOXTSWGCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
1.62
ALogP
7
HBA
1
HBD
82.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O5
MW 334.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
24835982 10.1016/j.bmcl.2014.04.079 MCF7 1
24835982 10.1016/j.bmcl.2014.04.079 SW-620 1
24835982 10.1016/j.bmcl.2014.04.079 NON-PROTEIN TARGET 1
24835982 10.1016/j.bmcl.2014.04.079 HepG2 1
24835982 10.1016/j.bmcl.2014.04.079 HeLa 1
24835982 10.1016/j.bmcl.2014.04.079 MCR 1

Data from ChEMBL 36 via Core Engine